SCHEMBL16782003

SCHEMBL16782003

COc1ccc(OC)c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
GAA P10253 3/20 0.64
TP53 P04637 2/20 0.64
MAPK1 P28482 1/20 0.64
POLB P06746 1/20 0.62
RAF1 P04049 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
BRAF P15056 1/20 0.57
EPHX2 P34913 1/20 0.56
HSP90AA1 P07900 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19427492 0.88 MEN1 (0.84) MAPTMEN1KMT2AGAATP53
SCHEMBL8370207 0.86 GSK3A (0.66) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL938321 0.85 RAF1 (0.74) MAPTRAF1ALDH1A1KDM4EBRAF
SCHEMBL4243486 0.85 RAF1 (0.61) MAPTMEN1KMT2AGAATP53
SCHEMBL6760901 0.85 EPHX2 (0.56) MAPTMEN1KMT2AGAATP53
SCHEMBL3476076 0.85 RAF1 (0.61) MAPTMEN1KMT2AGAATP53
SCHEMBL4247303 0.85 MEN1 (0.64) MAPTMEN1KMT2AGAATP53
SCHEMBL5445313 0.84 RAF1 (0.60) MAPTMEN1KMT2AGAATP53
SCHEMBL31440788 0.83 KMT2A (0.61) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL19427718 0.83 MAPT (0.79) MAPTMEN1KMT2AGAATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150878-A1 Methods For Inhibiting Viruses By Targeting Cathepsin-L Cleavage Sites In The Viruses' Glycoproteins THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150150878-A1 Methods For Inhibiting Viruses By Targeting Cathepsin-L Cleavage Sites In The Viruses' Glycoproteins CTSL, CTSH, CTSV MAPT 3447/4885MEN1 4435/4885KMT2A 4587/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.